4-hydroxy-6-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydro-3H-indeno[5,4-e]inden-2-one
Internal ID | 836152c6-756f-4089-b92a-386edc6c27f6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | 4-hydroxy-6-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydro-3H-indeno[5,4-e]inden-2-one |
SMILES (Canonical) | CC(=CC(=O)CC(C)(C1CCC2(C1CC(C3C2(CCC4C3(CC(=O)C4(C)C)C)C)O)C)O)C |
SMILES (Isomeric) | CC(=CC(=O)CC(C)(C1CCC2(C1CC(C3C2(CCC4C3(CC(=O)C4(C)C)C)C)O)C)O)C |
InChI | InChI=1S/C29H46O4/c1-17(2)13-18(30)15-29(8,33)19-9-11-27(6)20(19)14-21(31)24-26(5)16-23(32)25(3,4)22(26)10-12-28(24,27)7/h13,19-22,24,31,33H,9-12,14-16H2,1-8H3 |
InChI Key | DSORWRVACUTNPS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H46O4 |
Molecular Weight | 458.70 g/mol |
Exact Mass | 458.33960994 g/mol |
Topological Polar Surface Area (TPSA) | 74.60 Ų |
XlogP | 5.30 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.64% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.75% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.90% | 94.45% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.40% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.51% | 100.00% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.20% | 89.34% |
CHEMBL2581 | P07339 | Cathepsin D | 87.75% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.60% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.52% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.27% | 86.33% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.33% | 97.05% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.25% | 95.38% |
CHEMBL5028 | O14672 | ADAM10 | 83.44% | 97.50% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.26% | 100.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.00% | 91.07% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.13% | 93.04% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Viburnum dilatatum |
PubChem | 163060812 |
LOTUS | LTS0275940 |
wikiData | Q104987935 |